UCSF

ZINC20231674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 9.05 -73.74 1 7 0 87 407.47 9
Hi High (pH 8-9.5) 1.82 6.51 -55.86 0 7 -1 86 406.462 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )